ethyl N-[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carbonyl]-beta-alaninate
Chemical Structure Depiction of
ethyl N-[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carbonyl]-beta-alaninate
ethyl N-[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | S572-0721 |
| Compound Name: | ethyl N-[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carbonyl]-beta-alaninate |
| Molecular Weight: | 398.44 |
| Molecular Formula: | C21 H23 F N4 O3 |
| Smiles: | CCOC(CCNC(N1[C@H]2CC[C@@H]1c1cnc(c3ccc(cc3)F)nc1C2)=O)=O |
| Stereo: | RELATIVE |
| logP: | 2.8385 |
| logD: | 2.8385 |
| logSw: | -3.0644 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.048 |
| InChI Key: | SLXGUHNYHMEVBS-YJBOKZPZSA-N |